N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide

C24H31N5O5 — CID 146575408

About N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide

N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide (PubChem CID 146575408) has the molecular formula C24H31N5O5 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide
• PubChem CID: 146575408
• Molecular Formula: C24H31N5O5
• Molecular Weight: 469.54 g/mol
• Exact Mass: 469.23
• IUPAC Name: N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide
• SMILES: CCC[C@H](C)CC[C@H](NC(=O)c1cnco1)C(=O)Nc1cc2c(cn1)C1(CCOCC1)C(=O)N2
• InChI: InChI=1S/C24H31N5O5/c1-3-4-15(2)5-6-17(27-22(31)19-13-25-14-34-19)21(30)29-20-11-18-16(12-26-20)24(23(32)28-18)7-9-33-10-8-24/h11-15,17H,3-10H2,1-2H3,(H,27,31)(H,28,32)(H,26,29,30)/t15-,17-/m0/s1
• InChIKey: RMJHEQPWEYONES-RDJZCZTQSA-N
• XLogP: 3.02
• TPSA: 135.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.54
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide (CID 146575408) is N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide is CCC[C@H](C)CC[C@H](NC(=O)c1cnco1)C(=O)Nc1cc2c(cn1)C1(CCOCC1)C(=O)N2.

What is the InChIKey of N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide?

The InChIKey is RMJHEQPWEYONES-RDJZCZTQSA-N. The full InChI is InChI=1S/C24H31N5O5/c1-3-4-15(2)5-6-17(27-22(31)19-13-25-14-34-19)21(30)29-20-11-18-16(12-26-20)24(23(32)28-18)7-9-33-10-8-24/h11-15,17H,3-10H2,1-2H3,(H,27,31)(H,28,32)(H,26,29,30)/t15-,17-/m0/s1.

What are the key properties of N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide?

N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 146575408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).